On 28 Mar, 2011, at 5:26 , Nancy wrote:
I used the "Minimize Structure" feature of Chimera to minimize several ligand molecules in preparation for docking (with the "Gasteiger" charges option). I need to cite this in an article that I am to submit for publication, and I need a bibliography of the software, including a description of the minimisation algorithm, force field, etc... Please let me know how I should go about this?
The minimization code used by Chimera comes from MMTK, whose reference is this paper: http://dirac.cnrs-orleans.fr/plone/publications/all-publications/H_2000_2 The force field is some dialect of Amber, though I don't know which one exactly is used by Chimera. I hope someone else can provide that information. Konrad. -- --------------------------------------------------------------------- Konrad Hinsen Centre de Biophysique Moléculaire, CNRS Orléans Synchrotron Soleil - Division Expériences Saint Aubin - BP 48 91192 Gif sur Yvette Cedex, France Tel. +33-1 69 35 97 15 E-Mail: research AT khinsen DOT fastmail DOT net ---------------------------------------------------------------------